methyl 2-[2,6-bis(chloranyl)-4-(2-pyridin-4-ylpiperazin-1-yl)phenoxy]ethanoate

Systemtic Name: methyl 2-[2,6-bis(chloranyl)-4-(2-pyridin-4-ylpiperazin-1-yl)phenoxy]ethanoate Openeye Name: methyl 2-[2,6-dichloro-4-[2-(4-pyridyl)piperazin-1-yl]phenoxy]acetate CAS Name: 2-[2,6-dichloro-4-(2-pyridin-4-yl-1-piperazinyl)phenoxy]acetic acid methyl ester IUPAC Name: methyl 2-[2,6-dichloro-4-(2-pyridin-4-ylpiperazin-1-yl)phenoxy]acetate Traditional Name: 2-[2,6-dichloro-4-[2-(4-pyridyl)piperazino]phenoxy]acetic acid methyl ester Formula: C18H19Cl2N3O3 MolecularWeight: 396.26776

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)COC1=C(C=C(C=C1Cl)N2CCNCC2C3=CC=NC=C3)Cl

Isomeric SMILES

COC(=O)COC1=C(C=C(C=C1Cl)N2CCNCC2C3=CC=NC=C3)Cl

InChI

InChI=1S/C18H19Cl2N3O3/c1-25-17(24)11-26-18-14(19)8-13(9-15(18)20)23-7-6-22-10-16(23)12-2-4-21-5-3-12/h2-5,8-9,16,22H,6-7,10-11H2,1H3